FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2019909662> ?p ?o ?g. }

• W2019909662 endingPage "92" @default.
• W2019909662 startingPage "81" @default.
• W2019909662 abstract "Using potential models based on ab initio quantum chemical calculations, we study a supercritical CO2 fluid containing one benzene molecule using Monte Carlo simulations. First, molecular average internal energy is calculated for the whole system and for the first solvation shell of the benzene molecule. This analysis shows that the CO2 molecules in the first solvation shell have a large energetic stabilization owing to the shape of the solute. In addition to the stabilization, the solute-solvent interactions in the first solvation shell show large fluctuations for both the in-plane and out-of-plane parts. Secondly, an orientational distribution function is defined to investigate the CO2 fluid structure. This function indicates that the CO2CO2 intermolecular configuration has a large dependence on the temperature of the system for both the whole system, and for the first solvation shell of the solute. Moreover, the benzene molecule is confirmed to control the mutual arrangement between neighboring CO2 molecules." @default.
• W2019909662 created "2016-06-24" @default.
• W2019909662 creator A5063636804 @default.
• W2019909662 creator A5066335790 @default.
• W2019909662 creator A5067227096 @default.
• W2019909662 date "1996-06-01" @default.
• W2019909662 modified "2023-10-16" @default.
• W2019909662 title "Computer simulation of the supercritical carbon dioxide fluid (II) internal energy and structure of carbon dioxide system containing one benzene molecule" @default.
• W2019909662 cites W1678449677 @default.
• W2019909662 cites W1976779472 @default.
• W2019909662 cites W1999760418 @default.
• W2019909662 cites W2008959749 @default.
• W2019909662 cites W2013628730 @default.
• W2019909662 cites W2041112935 @default.
• W2019909662 cites W2042071116 @default.
• W2019909662 cites W2053941160 @default.
• W2019909662 cites W2054897188 @default.
• W2019909662 cites W2056760934 @default.
• W2019909662 cites W2064840837 @default.
• W2019909662 cites W2073350057 @default.
• W2019909662 cites W2090119104 @default.
• W2019909662 cites W240584058 @default.
• W2019909662 doi "https://doi.org/10.1016/0378-3812(96)02996-2" @default.
• W2019909662 hasPublicationYear "1996" @default.
• W2019909662 type Work @default.
• W2019909662 sameAs 2019909662 @default.
• W2019909662 citedByCount "14" @default.
• W2019909662 countsByYear W20199096622014 @default.
• W2019909662 countsByYear W20199096622015 @default.
• W2019909662 countsByYear W20199096622020 @default.
• W2019909662 countsByYear W20199096622022 @default.
• W2019909662 countsByYear W20199096622023 @default.
• W2019909662 crossrefType "journal-article" @default.
• W2019909662 hasAuthorship W2019909662A5063636804 @default.
• W2019909662 hasAuthorship W2019909662A5066335790 @default.
• W2019909662 hasAuthorship W2019909662A5067227096 @default.
• W2019909662 hasConcept C105795698 @default.
• W2019909662 hasConcept C118419359 @default.
• W2019909662 hasConcept C121332964 @default.
• W2019909662 hasConcept C134458231 @default.
• W2019909662 hasConcept C135508586 @default.
• W2019909662 hasConcept C147597530 @default.
• W2019909662 hasConcept C148093993 @default.
• W2019909662 hasConcept C149823470 @default.
• W2019909662 hasConcept C159467904 @default.
• W2019909662 hasConcept C166950319 @default.
• W2019909662 hasConcept C178790620 @default.
• W2019909662 hasConcept C185592680 @default.
• W2019909662 hasConcept C19499675 @default.
• W2019909662 hasConcept C2777691172 @default.
• W2019909662 hasConcept C2781442258 @default.
• W2019909662 hasConcept C32909587 @default.
• W2019909662 hasConcept C33923547 @default.
• W2019909662 hasConcept C59593255 @default.
• W2019909662 hasConcept C65494353 @default.
• W2019909662 hasConcept C97355855 @default.
• W2019909662 hasConceptScore W2019909662C105795698 @default.
• W2019909662 hasConceptScore W2019909662C118419359 @default.
• W2019909662 hasConceptScore W2019909662C121332964 @default.
• W2019909662 hasConceptScore W2019909662C134458231 @default.
• W2019909662 hasConceptScore W2019909662C135508586 @default.
• W2019909662 hasConceptScore W2019909662C147597530 @default.
• W2019909662 hasConceptScore W2019909662C148093993 @default.
• W2019909662 hasConceptScore W2019909662C149823470 @default.
• W2019909662 hasConceptScore W2019909662C159467904 @default.
• W2019909662 hasConceptScore W2019909662C166950319 @default.
• W2019909662 hasConceptScore W2019909662C178790620 @default.
• W2019909662 hasConceptScore W2019909662C185592680 @default.
• W2019909662 hasConceptScore W2019909662C19499675 @default.
• W2019909662 hasConceptScore W2019909662C2777691172 @default.
• W2019909662 hasConceptScore W2019909662C2781442258 @default.
• W2019909662 hasConceptScore W2019909662C32909587 @default.
• W2019909662 hasConceptScore W2019909662C33923547 @default.
• W2019909662 hasConceptScore W2019909662C59593255 @default.
• W2019909662 hasConceptScore W2019909662C65494353 @default.
• W2019909662 hasConceptScore W2019909662C97355855 @default.
• W2019909662 hasFunder F4320320912 @default.
• W2019909662 hasIssue "1-2" @default.
• W2019909662 hasLocation W20199096621 @default.
• W2019909662 hasOpenAccess W2019909662 @default.
• W2019909662 hasPrimaryLocation W20199096621 @default.
• W2019909662 hasRelatedWork W1966988844 @default.
• W2019909662 hasRelatedWork W1967794720 @default.
• W2019909662 hasRelatedWork W1975193719 @default.
• W2019909662 hasRelatedWork W2003485893 @default.
• W2019909662 hasRelatedWork W2018234365 @default.
• W2019909662 hasRelatedWork W2062435382 @default.
• W2019909662 hasRelatedWork W2071267807 @default.
• W2019909662 hasRelatedWork W2944162967 @default.
• W2019909662 hasRelatedWork W3200456905 @default.
• W2019909662 hasRelatedWork W4252453339 @default.
• W2019909662 hasVolume "120" @default.
• W2019909662 isParatext "false" @default.
• W2019909662 isRetracted "false" @default.
• W2019909662 magId "2019909662" @default.
• W2019909662 workType "article" @default.